6-(Trifluoromethyl)-4(1H)-pyrimidinone

Basic Information

View in Editor

CAS Number

1546-78-7

Molecular Formula

C5H3F3N2O

Molecular Weight

164.09 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

169-171 °C

Boiling Point

229°C at 760 mmHg

Density

1.55

Water Solubility

Solubility in methanol (almost transparency). Slightly soluble in water.

Flash Point

32.6°C

Refractive Index

1.484

SMILES

View in Editor

C1=C(N=CNC1=O)C(F)(F)F

InChI

InChI=1S/C5H3F3N2O/c6-5(7,8)3-1-4(11)10-2-9-3/h1-2H,(H,9,10,11)

InChIKey

LVOYSBZJJWPUBD-UHFFFAOYSA-N

LogP

1.201

Topological Polar Surface Area

46.010000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

241

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

1546-78-7
TD8042
SCHEMBL18590
CD-0251
BS-3883
AC-25660
6-(TRIFLUOROMETHYL)-PYRIMIDIN-4-OL
J-518138
6-(trifluoromethyl)pyrimidin-4-ol
BCP30405
J-009131
AKOS005135862
6-Trifluoromethyl-pyrimidin-4-ol
T1601
LVOYSBZJJWPUBD-UHFFFAOYSA-
6-(Trifluoromethyl)pyrimidin-4-one
EN300-98980
4-trifluoromethylpyrimidin-6-one
4-Hydroxy-6-(trifluoromethyl)pyrimidine
AKOS000320398
6-trifluoromethylpyrimidin-4-ol
6-(Trifluoromethyl)pyrimidin-4(1H)-one
4(3H)-Pyrimidinone, 6-(trifluoromethyl)-
SY021665
6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
4-Hydroxy-6-(trifluoromethyl)pyrimidine, 99%
6-(trifluoromethyl)pyrimidin-4(3h)-one
SCHEMBL3480448
SB57270
FT-0621319
4-Hydroxy-6-trifluoromethylpyrimidine

MDL Number

MFCD00192530

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 6-(Trifluoromethyl)-4(1H)-pyrimidinone (CAS: 1546-78-7)?

6-(Trifluoromethyl)-4(1H)-pyrimidinone (CAS: 1546-78-7) is a white crystalline solid with a molecular weight of approximately 191.07 g/mol. It has a melting point of 135-137°C and is slightly soluble in water. This compound exhibits good stability under normal conditions but can be reactive under certain conditions, particularly in the presence of strong acids or bases. It is used in various applications due to its unique chemical properties.

How is 6-(Trifluoromethyl)-4(1H)-pyrimidinone (CAS: 1546-78-7) typically synthesized?

6-(Trifluoromethyl)-4(1H)-pyrimidinone (CAS: 1546-78-7) can be synthesized via several routes, commonly involving the reaction of 4-chloropyrimidin-2-one with trifluoroacetyl chloride. The process typically requires the use of a catalyst and proceeds with good selectivity and yield. Detailed synthesis methods and conditions are available in the literature.

What industries use 6-(Trifluoromethyl)-4(1H)-pyrimidinone (CAS: 1546-78-7)?

6-(Trifluoromethyl)-4(1H)-pyrimidinone (CAS: 1546-78-7) is primarily used in the pharmaceutical industry for the synthesis of various drugs. It is also applied in the polymer industry for modifying polymer properties and in the semiconductor industry for its use in manufacturing processes. Additionally, it has potential applications in sensors and other advanced materials.

What precautions should be taken when handling 6-(Trifluoromethyl)-4(1H)-pyrimidinone (CAS: 1546-78-7)?

When handling 6-(Trifluoromethyl)-4(1H)-pyrimidinone (CAS: 1546-78-7), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and protective clothing. Work should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up using appropriate methods, and the substance should be stored in a cool, dry place away from heat sources. Always refer to the Safety Data Sheet (SDS) for specific handling guidelines and emergency procedures.